CID 59896075

C9H18O3 — CID 59896075

IUPAC—
SMILES[CH]CCC(COC)(COC)OC
InChIInChI=1S/C9H18O3/c1-5-6-9(12-4,7-10-2)8-11-3/h1H,5-8H2,2-4H3
InChIKeyYLKSPCPQQLBKEI-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.16
Rot. Bonds7

About CID 59896075

CID 59896075 (PubChem CID 59896075) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol.

Molecular Properties

Compound NameCID 59896075
PubChem CID59896075
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name—
SMILES[CH]CCC(COC)(COC)OC
InChIInChI=1S/C9H18O3/c1-5-6-9(12-4,7-10-2)8-11-3/h1H,5-8H2,2-4H3
InChIKeyYLKSPCPQQLBKEI-UHFFFAOYSA-N
XLogP1.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 59896075?
The IUPAC name of CID 59896075 (CID 59896075) is not available.
What is the SMILES notation for CID 59896075?
The canonical SMILES for CID 59896075 is [CH]CCC(COC)(COC)OC.
What is the InChIKey of CID 59896075?
The InChIKey is YLKSPCPQQLBKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-5-6-9(12-4,7-10-2)8-11-3/h1H,5-8H2,2-4H3.
What are the key properties of CID 59896075?
CID 59896075 has a molecular weight of 174.24 g/mol, XLogP of 1.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59896075 is sourced from PubChem (CID 59896075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).